SCHEMBL3743397

SCHEMBL3743397

Cc1ccc2ccnc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c2c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.37
SSTR4 P31391 1/20 0.35
SYK P43405 1/20 0.34
HDAC3 O15379 4/20 0.33
HDAC1 Q13547 4/20 0.33
HDAC6 Q9UBN7 4/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
AAK1 Q2M2I8 3/20 0.32
F2 P00734 2/20 0.32
NQO2 P16083 1/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7220504 0.86 PLG (0.43) PDPK1SSTR4HDAC3HDAC1HDAC6
SCHEMBL7214930 0.84 PDPK1 (0.35) PDPK1SSTR4SYKHDAC3HDAC1
SCHEMBL3733168 0.83 ROCK1 (0.38) PDPK1SSTR4SYKHDAC3HDAC1
SCHEMBL3738636 0.83 SSTR4 (0.37) PDPK1SSTR4SYKHDAC3HDAC1
SCHEMBL18300427 0.81 SYK (0.36) PDPK1SSTR4SYKAAK1KMT2A
SCHEMBL7219743 0.80 NR1H4 (0.41) HDAC3HDAC1HDAC6KDM4EALDH1A1
SCHEMBL7219745 0.80 NR1H4 (0.41) HDAC3HDAC1HDAC6KDM4EALDH1A1
SCHEMBL14416205 0.80 HDAC8 (0.35) PDPK1SSTR4SYKHDAC3HDAC1
SCHEMBL17981029 0.79 PDPK1 (0.35) PDPK1SSTR4SYKKDM4EAAK1
SCHEMBL8233620 0.78 GABRG2 (0.39) PDPK1SSTR4SYKAAK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829584-B2 Pyridines and pyridine N-oxides as modulators of thrombin JANSSEN PHARMACEUTICA NV (BE) 2010-11-09 US disclosed
US-7829584-B2 Pyridines and pyridine N-oxides as modulators of thrombin JANSSEN PHARMACEUTICA NV (BE) 2010-11-09 US disclosed
US-7829584-B2 Pyridines and pyridine N-oxides as modulators of thrombin JANSSEN PHARMACEUTICA NV (BE) 2010-11-09 US disclosed
US-20070225282-A1 PYRIDINES AND PYRIDINE N-OXIDES AS MODULATORS OF THROMBIN JANSSEN PHARMACEUTICA, N.V. (BE) 2007-09-27 US disclosed
US-20070225282-A1 PYRIDINES AND PYRIDINE N-OXIDES AS MODULATORS OF THROMBIN JANSSEN PHARMACEUTICA, N.V. (BE) 2007-09-27 US disclosed
WO-2007109459-A2 PYRIDINES AND PYRIDINE N-OXIDES AS MODULATORS OF THROMBIN JANSSEN PHARMACEUTICA, NV (BE) 2007-09-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070225282-A1 PYRIDINES AND PYRIDINE N-OXIDES AS MODULATORS OF THROMBIN F2, F11, TBXAS1 PDPK1 2281/4885SSTR4 4038/4885SYK 189/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.